Molecule

Aspidospermine

AlkaPlorer ID: AK289564

Synonym: 1-Acetyl-17-methoxyaspidospermidine

IUPAC Name: 1-(12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl)ethanone

SMILES: CCC12CCCN3CCC4(C5=CC=CC(OC)=C5N(C(C)=O)C4CC1)C32

InChI: InChI=1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3

InChIKey: ARQOGCYMPUOVHK-UHFFFAOYSA-N

PubChem CID: 579922

CAS: 466-49-9

LOTUS: LTS0214196

COCONUT: CNP0112514.5

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspidosperma quebracho-blanco	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Strychnos angolensis	Strychnos	Loganiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Vallesia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vallesia glabra	Vallesia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 354.49400000000014

TPSA？: 32.78

MolLogP？: 3.7264000000000026

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 5

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi